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Open data
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Basic information
Entry | Database: PDB / ID: 1qlw | ||||||
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Title | The Atomic Resolution Structure of a Novel Bacterial Esterase | ||||||
![]() | ESTERASE | ||||||
![]() | HYDROLASE(CARBOXYLIC ESTERASE) / ESTERASE / ANISOTROPIC REFINEMENT / ATOMIC RESOLUTION / ALPHA/BETA HYDROLASE | ||||||
Function / homology | Alpha/Beta hydrolase fold, catalytic domain / Alpha/Beta hydrolase fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / Carboxylesterase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bourne, P.C. / Isupov, M.N. / Littlechild, J.A. | ||||||
![]() | ![]() Title: The Atomic Resolution Structure of a Novel Bacterial Esterase Authors: Bourne, P.C. / Isupov, M.N. / Littlechild, J.A. #1: Journal: Acta Crystallogr.,Sect.D / Year: 1999 Title: Crystallization and Preliminary X-Ray Diffraction Studies of a Novel Bacterial Esterase Authors: Bourne, P.C. / Isupov, M.N. / Littlechild, J.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 273.3 KB | Display | ![]() |
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PDB format | ![]() | 231.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 436.6 KB | Display | ![]() |
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Full document | ![]() | 446.8 KB | Display | |
Data in XML | ![]() | 32.3 KB | Display | |
Data in CIF | ![]() | 49.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.99234, -0.02182, 0.12158), Vector: Details | BIOLOGICAL_UNIT: DIMERIC | |
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Components
#1: Protein | Mass: 35686.770 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: ALPHA/BETA HYDROLASE FOLD / Source: (gene. exp.) ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.37 Å3/Da / Density % sol: 48.03 % | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 7 / Details: PH 4.6 | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging dropDetails: Bourne, P.C., (1999) Acta Crystallogr.,Sect.D, 55, 915. | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Nov 15, 1997 / Details: BENT MIRROR |
Radiation | Monochromator: HAMBURG / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8373 Å / Relative weight: 1 |
Reflection | Resolution: 1.09→28 Å / Num. obs: 274290 / % possible obs: 99.4 % / Observed criterion σ(I): 0 / Redundancy: 3.8 % / Biso Wilson estimate: 14.5 Å2 / Rmerge(I) obs: 0.094 / Net I/σ(I): 14.5 |
Reflection shell | Resolution: 1.09→1.12 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.36 / Mean I/σ(I) obs: 2.3 / % possible all: 98.2 |
Reflection shell | *PLUS % possible obs: 98.2 % |
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Processing
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Refinement | Method to determine structure: ![]() Details: THE C-TERMINAL RESIDUE WAS NOT SEEN IN THE DENSITY MAPS
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Displacement parameters | Biso mean: 21.4 Å2
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Refinement step | Cycle: LAST / Resolution: 1.09→30 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.1429 / % reflection Rfree: 5 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |